Application of the GRI 1.2 methane oxidation model to methane and methanol oxidation in supercritical water

Technical Report · Wed Dec 31 04:00:00 EST 1997

OSTI ID:649558

Rice, S F

The Gas Research Institute (GRI) has been leading an effort over the past few years to consolidate recent developments in the elementary reaction modeling of the oxidation of methane for combustion applications into a single optimized set of reactions within a standard computational framework. The interest in the translation of combustion-based models to oxidation in supercritical water has led the authors to examine the applicability of this mechanism to the low-temperature high-density conditions of supercritical water oxidation at 25 MPa and 400--650 C. This paper shows that the GRI 1.2 mechanism accurately represents the available experimental results on methane over a wide temperature and concentration range. The oxidation of methanol is not well represented by the GRI mechanism when left unchanged. However, if a key modification is made to the reactivity of HO{sub 2}, good agreement with the methanol oxidation results is achieved. Although designed for conventional combustion conditions, the GRI mechanism can be successfully extended with very little modification to much lower temperature and extreme pressure conditions.

• Research Organization: Sandia National Labs., Livermore, CA (United States)
• OSTI ID: 649558
• Report Number(s): AD-A--348827/XAB
• Country of Publication: United States
• Language: English

Related Subjects

03 NATURAL GAS
10 SYNTHETIC FUELS
COMBUSTION KINETICS
MATHEMATICAL MODELS
METHANE
METHANOL
ORGANIC COMPOUNDS
OXIDATION
SUPERCRITICAL GAS EXTRACTION
WATER